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22 search results found

Alphafold2 ⭐ 1,086

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

Paddlehelix ⭐ 729

Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

Fastfold ⭐ 485

Optimizing AlphaFold Training and Inference on GPU Clusters

Pyrosetta.notebooks ⭐ 399

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

Equiformer Pytorch ⭐ 207

Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

Invariant Point Attention ⭐ 112

Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorch module

Tr Rosetta Pytorch ⭐ 54

Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design

Manyfold ⭐ 28

🧬 ManyFold: An efficient and flexible library for training and validating protein folding models

Proteinfold ⭐ 26

Protein 3D structure prediction pipeline

Framedipt ⭐ 24

FrameDiPT: an SE(3) diffusion model for protein structure inpainting

Aws Rosettafold ⭐ 18

Infrastructure template and Jupyter notebooks for running RoseTTAFold on AWS Batch.

Prospr is a universal toolbox for protein structure prediction within the HP-model. The Python package is based on a C++ core, which gives Prospr its high performance. The C++ core is made available as a separate zip file to facilitate high-performance computing applications. The package comes with many prediction algorithms and datasets to use.

Alphafold_singularity ⭐ 17

Singularity recipe for AlphaFold

Mastermsm ⭐ 14

Python package for generating Markov state models

Triangle Multiplicative Module ⭐ 12

Implementation of the Triangle Multiplicative module, used in Alphafold2 as an efficient way to mix rows or columns of a 2d feature map, as a standalone package for Pytorch

Mastermsm ⭐ 11

Python package for generating Markov state models

An interactive visual simulator for distance-based protein folding

Protein Folding ⭐ 8

Protein structure prediction using optimization methods from the field of machine learning

Deep learning for protein science

Quantum Protein Structure Prediction ⭐ 6

Quantum algorithms for protein structure prediction. Language: Python (Qiskit). Platform: IBM Quantum's backends and simulators.

Sda_examples_aws ⭐ 6

Examples for SDAccel 2017.1+ on AWS F1 instances

Ps4 Dataset ⭐ 5

The largest open-source dataset for Protein Single Sequence Secondary Structure prediction.

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